AB45121
5390-04-5 | 4-Pentyn-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AB45121
ChemicalName
4-Pentyn-1-ol
CasNumber
5390-04-5
MolecularFormula
C5H8O
MolecularWeight
84.11642
MdlNumber
MFCD00002974
Smiles
OCCCC#C
NscNumber
5274
Complexity
57.6
Covalently-bondedUnitCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.5
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CatalogNumber: AB45121
ChemicalName: 4-Pentyn-1-ol
CasNumber: 5390-04-5
MolecularFormula: C5H8O
MolecularWeight: 84.11642
MdlNumber: MFCD00002974
Smiles: OCCCC#C
NscNumber: 5274
Complexity: 57.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.5
CatalogNumber:
AB45121
ChemicalName:
4-Pentyn-1-ol
CasNumber:
5390-04-5
MolecularFormula:
C5H8O
MolecularWeight:
84.11642
MdlNumber:
MFCD00002974
Smiles:
OCCCC#C
NscNumber:
5274
Complexity:
57.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(cc1)Oc1ccccc1
NscNumber: __
Complexity: 225
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(cc1)Oc1ccccc1
NscNumber:
__
Complexity:
225
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.9
CatalogNumber: AB45123
ChemicalName: 4-Phenoxyphenol
CasNumber: 831-82-3
MolecularFormula: C12H10O2
MolecularWeight: 186.2066
MdlNumber: MFCD00002331
Smiles: Oc1ccc(cc1)Oc1ccccc1
NscNumber: 25027
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 3.4
CatalogNumber:
AB45123
ChemicalName:
4-Phenoxyphenol
CasNumber:
831-82-3
MolecularFormula:
C12H10O2
MolecularWeight:
186.2066
MdlNumber:
MFCD00002331
Smiles:
Oc1ccc(cc1)Oc1ccccc1
NscNumber:
25027
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccc(cc1)Oc1ccccc1)O
NscNumber: __
Complexity: 196
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccc(cc1)Oc1ccccc1)O
NscNumber:
__
Complexity:
196
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__